smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc([O-])c(SC(F)(F)F)c1CC(=O)[O-]	ZINC000575392268	382767187	/nfs/dbraw/zinc/76/71/87/382767187.db2.gz	QFCHZJIDHDTDOX-UHFFFAOYSA-N	-2	0	277.223	2.503	10	30		CFEERL
N#Cc1cc(SC(F)(F)F)c([O-])cc1C(=O)[O-]	ZINC000575391975	382767324	/nfs/dbraw/zinc/76/73/24/382767324.db2.gz	JCUVDZVDTMUNCO-UHFFFAOYSA-N	-2	0	263.196	2.574	10	30		CFEERL
CCCCCCCCCCn1nnc(C(=O)[O-])c1C(=O)[O-]	ZINC000097965979	528126794	/nfs/dbraw/zinc/12/67/94/528126794.db2.gz	OJRDYDHAMMRWMR-UHFFFAOYSA-N	-2	0	297.355	2.815	10	30		CFEERL
N#Cc1c([O-])c(SC(F)(F)F)ccc1C(=O)[O-]	ZINC000514272599	348640796	/nfs/dbraw/zinc/64/07/96/348640796.db2.gz	OSGCTGWQKWHYHC-UHFFFAOYSA-N	-2	0	263.196	2.574	10	30		CFEERL
O=C([O-])c1ccc([O-])c(C(=O)/C=C/c2ccc(O)cc2)c1	ZINC000008048311	170316367	/nfs/dbraw/zinc/31/63/67/170316367.db2.gz	CLXZUJIMSLWJPM-XVNBXDOJSA-N	-2	0	284.267	2.692	10	30		CFEERL
N#Cc1ccc(C(=O)[O-])c(SC(F)(F)F)c1[O-]	ZINC000514272317	348640703	/nfs/dbraw/zinc/64/07/03/348640703.db2.gz	DZHARBVOISOVBX-UHFFFAOYSA-N	-2	0	263.196	2.574	10	30		CFEERL
N#Cc1cc(CC(=O)[O-])cc(SC(F)(F)F)c1[O-]	ZINC000575391683	382766697	/nfs/dbraw/zinc/76/66/97/382766697.db2.gz	DWDXEDVBPFARIK-UHFFFAOYSA-N	-2	0	277.223	2.503	10	30		CFEERL
O=C([O-])c1ccccc1C([O-])=C(c1ccccc1)[N+](=O)[O-]	ZINC000100292482	347713546	/nfs/dbraw/zinc/71/35/46/347713546.db2.gz	HWERHXDDECAKAS-CYBMUJFWSA-N	-2	0	285.255	2.586	10	30		CFEERL
N#Cc1cc(CC(=O)[O-])c([O-])c(SC(F)(F)F)c1	ZINC000575392387	382767074	/nfs/dbraw/zinc/76/70/74/382767074.db2.gz	XQIUWVBFYNIVFS-UHFFFAOYSA-N	-2	0	277.223	2.503	10	30		CFEERL
N#Cc1ccc(CC(=O)[O-])c(SC(F)(F)F)c1[O-]	ZINC000575391673	382766849	/nfs/dbraw/zinc/76/68/49/382766849.db2.gz	CXILNTWLOGQADO-UHFFFAOYSA-N	-2	0	277.223	2.503	10	30		CFEERL
O=C1CCCC([O-])=C1SC1=C([O-])CCCC1=O	ZINC000005566626	170113926	/nfs/dbraw/zinc/11/39/26/170113926.db2.gz	BVNAHAUBKFUXHA-UHFFFAOYSA-N	-2	0	254.307	2.765	10	30		CFEERL
N#Cc1cc(SC(F)(F)F)c([O-])cc1CC(=O)[O-]	ZINC000514275318	348641210	/nfs/dbraw/zinc/64/12/10/348641210.db2.gz	SUVXIJZJRWFYOR-UHFFFAOYSA-N	-2	0	277.223	2.503	10	30		CFEERL
O=C([O-])c1c(C([O-])=C[N+](=O)[O-])cccc1-c1ccccc1	ZINC000584611768	348689601	/nfs/dbraw/zinc/68/96/01/348689601.db2.gz	WMYGKJBDFXECEO-UHFFFAOYSA-N	-2	0	285.255	2.511	10	30		CFEERL
C=C(CCC(=O)[O-])[C@H]1CC(C)(C)[C@@H]1CCC(=O)[O-]	ZINC000504109890	332704245	/nfs/dbraw/zinc/70/42/45/332704245.db2.gz	IYTMEDMFNUDFPT-GHMZBOCLSA-N	-2	0	254.326	2.935	10	30		CFEERL
O=C([O-])c1cccc(C[C@H](CCCCS)C(=O)[O-])c1	ZINC000013686614	372041903	/nfs/dbraw/zinc/04/19/03/372041903.db2.gz	NHGYNJPSUMLAJY-NSHDSACASA-N	-2	0	282.361	2.728	10	30	in-vivo	CFEERL
N#Cc1ccc([O-])c(SC(F)(F)F)c1C(=O)[O-]	ZINC000575392276	382767165	/nfs/dbraw/zinc/76/71/65/382767165.db2.gz	QLWUTDZNFUHVQU-UHFFFAOYSA-N	-2	0	263.196	2.574	10	30		CFEERL
O=C([O-])c1cccc(C[C@@H](CCCCS)C(=O)[O-])c1	ZINC000013686619	372040768	/nfs/dbraw/zinc/04/07/68/372040768.db2.gz	NHGYNJPSUMLAJY-LLVKDONJSA-N	-2	0	282.361	2.728	10	30	in-vivo	CFEERL
C/C(C#CC#C/C(C)=C(C)\C=C/C(=O)[O-])=C(C)\C=C\C(=O)[O-]	ZINC000229158832	623186379	/nfs/dbraw/zinc/18/63/79/623186379.db2.gz	WSIKQAKHFBXWID-OQPDXFCJSA-N	-2	0	298.338	2.948	10	30		CFEERL
N#Cc1c([O-])c(SC(F)(F)F)ccc1CC(=O)[O-]	ZINC000514276501	348641350	/nfs/dbraw/zinc/64/13/50/348641350.db2.gz	KYDGBRSMTQFHIN-UHFFFAOYSA-N	-2	0	277.223	2.503	10	30		CFEERL
O=C([O-])c1ccccc1C([O-])=C(c1ccccc1)[N+](=O)[O-]	ZINC000100292479	347713550	/nfs/dbraw/zinc/71/35/50/347713550.db2.gz	HWERHXDDECAKAS-ZDUSSCGKSA-N	-2	0	285.255	2.586	10	30		CFEERL